New developments including X-ray standing waves in the dynamical Bragg diffraction program of X-ray Server,Journal of Applied Crystallography

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New developments including X-ray standing waves in the dynamical Bragg diffraction program of X-ray Server
Journal of Applied Crystallography ( IF 5.2 ) Pub Date : 2021-09-13 , DOI: 10.1107/s160057672100830x
Sergey Stepanov ₁

Affiliation

X-ray Server (https://x-server.gmca.aps.anl.gov) is a collection of programs for online modelling of X-ray diffraction and scattering. The dynamical diffraction program is the second most popular Server program, contributing 34% of total Server usage. It models dynamical X-ray diffraction from strained crystals and multilayers for any Bragg-case geometry including grazing incidence and exit. This paper reports on a revision of equations used by the program, which yields ten times faster calculations in most use cases, on implementing calculations of X-ray standing waves and on adding new options for modelling diffraction from monolayers.

中文翻译：

X-ray Server 的动态布拉格衍射程序中的 X 射线驻波等新进展

X 射线服务器(https://x-server.gmca.aps.anl.gov) 是 X 射线衍射和散射在线建模程序的集合。动态衍射程序是第二受欢迎的服务器程序，占服务器总使用量的 34%。它模拟来自应变晶体和多层的动态 X 射线衍射，适用于任何布拉格情况几何，包括掠入射和出射。本文报告了该程序使用的方程的修订，在大多数用例中，它的计算速度提高了十倍，实现了 X 射线驻波的计算，并增加了对单层衍射建模的新选项。

更新日期：2021-10-06

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